Growing strings in a chemical reaction space for searching retrosynthesis pathways
Computational Chemistry Highlights,
Federico Zipoli, Carlo Baldassari, Matteo Manica, Jannis Born, and Teodoro Laino (2023)Highlighted by Jan JensenPart of Figure…
Federico Zipoli, Carlo Baldassari, Matteo Manica, Jannis Born, and Teodoro Laino (2023)Highlighted by Jan JensenPart of Figure…
Automatically predict the synthesis operations to execute arbitrary organic reactions in the lab!
Really nice paper looking at reaction classification based on text description, and visualisation using reaction fingerprints.
Just like an astronomer investigates outer space, a chemist explores chemical space — a theoretical territory with all possible…